Geometry & MOs

Info

ID:	256863
PubChem CID:	103141929
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	289.088498
ΔH_f, kcal/mol:	-26.83
Dipole, Da:	8.9
IP(EA), eV:	-9.13(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N-(thian-3-yl)isoquinolin-8-amine

Drug info:

PubChemData

Smile

CCC(CCNC1=C2C=NC=CC2=C(C=C1)[N+](=O)[O-])O

DOS

IR

Vibrations